| SpectraBase Compound ID | 8jfzZmUhMiK |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-2-3-6-12-9(10)8-5-4-7-11-8/h4-5,7H,2-3,6H2,1H3 |
| InChIKey | PAMQYEWNNPDBLM-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kf2kq2uNcwL |
|---|---|
| Name | 2-Furancarboxylic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-2-3-6-12-9(10)8-5-4-7-11-8/h4-5,7H,2-3,6H2,1H3 |
| InChIKey | PAMQYEWNNPDBLM-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C(OCCCC)(=O)C1=CC=CO1 |